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	hartrees
Energy at 0K	-207.895227
Energy at 298.15K
HF Energy	-207.895227
Nuclear repulsion energy	105.141030

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3279	3128	0.23	57.47	0.68	0.81
2	A'	3186	3039	4.41	171.43	0.16	0.28
3	A'	3170	3024	2.90	16.73	0.66	0.80
4	A'	1705	1626	5.38	25.69	0.07	0.13
5	A'	1633	1558	143.32	86.34	0.33	0.49
6	A'	1421	1355	25.19	19.60	0.41	0.58
7	A'	1295	1235	1.25	8.53	0.37	0.54
8	A'	1157	1104	77.40	26.78	0.47	0.64
9	A'	901	859	34.12	0.42	0.68	0.81
10	A'	622	593	1.42	7.70	0.21	0.34
11	A'	351	335	1.44	0.77	0.71	0.83
12	A"	1021	974	15.06	2.86	0.75	0.86
13	A"	1013	967	47.20	0.21	0.75	0.86
14	A"	690	658	1.11	3.71	0.75	0.86
15	A"	179	170	0.11	0.64	0.75	0.86

Atom	x (Å)	y (Å)
C1	1.203	1.210
C2	0.000	0.648
N3	-0.049	-0.773
O4	-1.169	-1.222
H5	2.086	0.582
H6	1.334	2.283
H7	-0.947	1.180

	C1	C2	N3	O4	H5	H6	H7
C1		1.3283	2.3457	3.3971	1.0833	1.0814	2.1510
C2	1.3283		1.4219	2.2048	2.0874	2.1104	1.0865
N3	2.3457	1.4219		1.2059	2.5293	3.3550	2.1498
O4	3.3971	2.2048	1.2059		3.7214	4.3068	2.4120
H5	1.0833	2.0874	2.5293	3.7214		1.8605	3.0920
H6	1.0814	2.1104	3.3550	4.3068	1.8605		2.5338
H7	2.1510	1.0865	2.1498	2.4120	3.0920	2.5338

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	117.020	C1	C2	H7	125.640
C2	C1	H5	119.546	C2	C1	H6	121.944
C2	N3	O4	113.821	N3	C2	H7	117.341
H5	C1	H6	118.510

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: mPW1PW91/TZVP

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	C	-0.162
2	C	-0.148
3	N	0.070
4	O	-0.168
5	H	0.143
6	H	0.143
7	H	0.121

	x	y	z	Total
	1.419	2.988	0.000	3.308
CHELPG
AIM
ESP

	x	y	z
x	6.890	2.214	0.000
y	2.214	6.323	0.000
z	0.000	0.000	2.963

<r²>	75.538
(<r²>)^1/2	8.691

All results from a given calculation for C2H3NO (Nitrosoethylene)

using model chemistry: mPW1PW91/TZVP

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)